Molecular Structure of N-(8-Benzyl-8-azabicyclo[3.2.1]oct-3-yl-exo)-2-methylpropanamide (CAS NO.376348-67-3):
Systematic Name: N-(8-Benzyl-8-azabicyclo[3.2.1]oct-3-yl)-2-methylpropanamide
Molecular Formula: C18H26N2O
Molecular Weight: 286.41
CAS Registry Number: 376348-67-3
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 4
Nominal Mass: 286
Average Mass: 286.4118
Monoisotopic Mass: 286.204513
Index of Refraction: 1.567
Molar Refractivity: 85.793 cm3
Molar Volume: 262.74 cm3
Surface Tension: 44.102 dyne/cm
Density: 1.09 g/cm3
Flash Point: 225.388 °C
Enthalpy of Vaporization: 70.769 kJ/mol
Boiling Point: 449.068 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: CC(C)C(=O)NC1CC3CCC(C1)N3Cc2ccccc2
InChI: InChI=1/C18H26N2O/c1-13(2)18(21)19-15-10-16-8-9-17(11-15)20(16)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,19,21)
InChIKey: ABOGULQHPLDMLL-UHFFFAOYAD
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